Synthesis, spectroscopic characterization and structural investigation of a new symmetrically trisubstituted benzene derivative: 3,3′,3′′-(Benzene-1,3,5-triyl)tripropiolic acid

The new 1,3,5-trisubstituted benzene derivative 1 featuring three propiolic acid side arms symmetrically attached to a benzene core has been synthesized. Spectroscopic studies including 1H and 13C NMR as well as FTIR measurements were performed. The single crystal structure of 1 shows involvement of a water molecule giving rise to formation of a new 12-membered hydrogen bonded ring motif of graph set R 4 3 (12) while the packing is typically interspersed with channel-like voids of different dimension containing additional ethanol and water molecules which, however, could not be localized precisely.